Research workbench
Fragment az-002 binding at the P53PT387/14-3-3 sigma interface
Analyse Fragment az-002 binding at the P53PT387/14-3-3 sigma interface in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RWI
- Type
- protein
- Length
- 239 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Cellular tumor antigen P53
- UniProt
- P31947, P04637
- Ligands
- KLE, MG, CA
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 227 | 83% helix, 0% strand | P31947 |
| P | Cellular tumor antigen P53 | protein | 12 | 0% helix, 0% strand | P04637 |
Ligands and binding sites
- KLE · 5-phenylthiophene-2-carboximidamide · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A, P
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.37 | 0.77 | 17 | empty |
| 2 | 50 | 0.32 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–P · 798 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P31947
- Every structure of UniProt P04637
- Elsewhere: RCSB PDB 6RWI · PDBe 6RWI · UniProt P31947 · UniProt P04637
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.